6S48

AvaII RESTRICTION ENDONUCLEASE IN COMPLEX WITH PARTIALLY CLEAVED dsDNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918400
Spacegroup name	P 1 21 1
Unit cell lengths	37.129, 116.210, 56.774
Unit cell angles	90.00, 102.91, 90.00

Refinement procedure

Resolution	40.070 - 1.900
R-factor	0.17826
Rwork	0.176
R-free	0.21671
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g3b
RMSD bond length	0.008
RMSD bond angle	1.227
Data reduction software	XDS
Data scaling software	XDS
Phasing software	BALBES
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.070	2.010
High resolution limit [Å]	1.900	1.900
Rmeas	0.094	0.943
Number of reflections	36585	5824
<I/σ(I)>	10.55	1.43
Completeness [%]	98.5	97.6
Redundancy	3.8	3.7
CC(1/2)	0.998	0.615

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Morpheus screen H1 conditions: 0.02 M of L-Na-glutamate, alanine (racemic), glycine, lysine HCl (racemic), serine (racemic), 0.1 M buffer (1 M Imidazole, 1 M MES, pH 6.5), 30% precipitant (20% w/v PEG 20 000, 40% v/v PEG MME 550)